S341-0522 Screening compound: N~3~-(4-ethylbenzyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide

S341-0522 Screening compound: N~3~-(4-ethylbenzyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide
S341-0522 Screening compound: N~3~-(4-ethylbenzyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S341-0522
N~3~-(4-ethylbenzyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S341-0522

Molecular Formula

C18H16FN3O2 (C18 H16 FN3 O2)

Compound Name

N~3~-(4-ethylbenzyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide

IUPAC name

N-[(4-ethylphenyl)methyl]-5-(4-fluorophenyl)-124-oxadiazole-3-carboxamide

SMILES

CCc1ccc(CNC(c2noc(-c(cc3)ccc3F)n2)=O)cc1

InChI

InChI=1S/C18H16FN3O2/c1-2-12-3-5-13(6-4-12)11-20-17(23)16-21-18(24-22-16)14-7-9-15(19)10-8-14/h3-10H,2,11H2,1H3,(H,20,23)

InChI Key

NKLRXACQARJPOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28122362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.031

Distribution Coefficient, logD

4.031

Water Solubility, LogSw

-4.03

Polar Surface Area

56.329

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

-5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

S341-0522 in Drug Discovery

Included in Screening Libraries

Ligand-Gated Ion Channels Library (3887 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S341-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S341-0522?
Check Price and Availability of S341-0522, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S341-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S341-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S341-0522
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S341-0522 available by request